2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(1-ethylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(1-ethylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(1-ethylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(1-ethyl-4-pyrazolyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(1-ethylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(2-ethoxybenzyl)-4-[(1-ethylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C21H33N4O2+ MolecularWeight: 373.51232

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C[NH+]2CCN(C(C2)CCO)CC3=CC=CC=C3OCC

Isomeric SMILES

CCN1C=C(C=N1)C[NH+]2CCN([C@H](C2)CCO)CC3=CC=CC=C3OCC

InChI

InChI=1S/C21H32N4O2/c1-3-25-15-18(13-22-25)14-23-10-11-24(20(17-23)9-12-26)16-19-7-5-6-8-21(19)27-4-2/h5-8,13,15,20,26H,3-4,9-12,14,16-17H2,1-2H3/p+1/t20-/m0/s1